4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-methylsulfanyl-pyrimidine-5-carbaldehyde

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-methylsulfanyl-pyrimidine-5-carbaldehyde Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-2-methylsulfanyl-pyrimidine-5-carbaldehyde CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-2-(methylthio)-5-pyrimidinecarboxaldehyde IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-2-methylsulfanylpyrimidine-5-carbaldehyde Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-2-(methylthio)pyrimidine-5-carbaldehyde Formula: C14H14ClN3O2S MolecularWeight: 323.79786

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NC(=NC=C2C=O)SC)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NC(=NC=C2C=O)SC)Cl

InChI

InChI=1S/C14H14ClN3O2S/c1-20-12-4-3-9(5-11(12)15)6-16-13-10(8-19)7-17-14(18-13)21-2/h3-5,7-8H,6H2,1-2H3,(H,16,17,18)